CID 204312

Brn 0631647

Structural Information

Molecular Formula
C20H19F3N4
SMILES
C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=C(C=NC4=CC=CC=C43)N
InChI
InChI=1S/C20H19F3N4/c21-20(22,23)14-4-3-5-15(12-14)26-8-10-27(11-9-26)19-16-6-1-2-7-18(16)25-13-17(19)24/h1-7,12-13H,8-11,24H2
InChIKey
KKDRCMWFCKLADH-UHFFFAOYSA-N
Compound name
4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinolin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.1562 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.16348 191.0
[M+Na]+ 395.14542 198.1
[M-H]- 371.14892 192.4
[M+NH4]+ 390.19002 198.9
[M+K]+ 411.11936 189.6
[M+H-H2O]+ 355.15346 176.4
[M+HCOO]- 417.15440 201.2
[M+CH3COO]- 431.17005 197.8
[M+Na-2H]- 393.13087 193.7
[M]+ 372.15565 181.6
[M]- 372.15675 181.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.